1,5,10-trimethylcyclododeca-1,5,9-triene, epoxidised

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October-November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance is adequately specified with purity. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

standard modified according to Letinski & all, 2002 protocol

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

yes

Remarks:

standard modified according to Letinski & all, 2002 protocol

Qualifier:

according to guideline

Guideline:

other: Letinski et al., 2002. Slow-stir water solubility measurements of selected alcohols and diesters, Chemosphere 48: 257-265.

Qualifier:

according to guideline

Guideline:

other: OECD-Guideline 123 for Testing of Chemicals, Partition Coefficient (1-Octanol/Water): Slow-Stirring Method (2006)

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 1,2 and 3 July 2014 / signed on 5 Mars 2015

Type of method:

other: Slow-stir method

Key result

Water solubility:

20.7 mg/L

Conc. based on:

other: main peak detected by GC/FID (corresponding to 70.76% of the composition(GC/FID %area))

Loading of aqueous phase:

100 mg/L

Incubation duration:

>= 165 h

Temp.:

20 °C

pH:

>= 6.6 - <= 7

Remarks on result:

other: mean of three determinations in ultrapure water (Vessels 1,2 and 3)

Remarks:

In each vessel, the water solubility was based on the the mean of five consecutive sampling after equilibrium

Key result

Water solubility:

23.16 mg/L

Conc. based on:

other: main peak detected by GC/FID (corresponding to 70.76% of the composition(GC/FID %area))

Loading of aqueous phase:

100 mg/L

Incubation duration:

>= 165 h

Temp.:

20 °C

pH:

>= 7.8 - <= 8

Remarks on result:

other: Vessel 4 (Dahnia medium) : mean of five consecutive sampling used to determine that the equilibrium was reached

Results:

Vessel 1 (ultra pure water) : 23.625 mg/L

Vessel 2 (ultra pure water) : 21.03 mg/L

Vessel 3 (ultra pure water) : 17.766 mg/L

Vessel 4 (Daphnia medium) : 20.7 mg/L

In each vessel : Mean concentration obtained on five consecutive sampling based on quatification of the main peak detected by GC/FID (corresponding to 70.76% of the composition(GC/FID %area); loading rate : 100 mg/L; after 165h at 20°C; pH 6.6 -7.0 in ultra pure water and pH 7.8 -8.0 in Daphnia medium)

Validity Criteria :

The slope of the concentration vs. time regression graph was not significantly different from zero, the maximum difference observed in the 5 consecutive sampling did not differ by more than 30% and the determined solubilities of the three test vessels did not differ by more than 30 %.

 

Temperatures were kept constant within ± 0.5 °C.

After a quick decrease of the pH value measured in the systems with ultrapure water during the first 24 hours (down to pH = 5), a weak base was added at a low concentration (1mM K2HPO4in the final volume) to maintain de pH above 6. No significant pH variations were observed in the Daphnia medium system.

Executive summary:

The water solubility of the test item was determined under GLP according OECD 105 guideline and EU A6 guideline, modified with slow stirring approach.

 

The study was conducted in ultra pure water, in triplicate vessels and in Daphnia medium. The samples were separated from eachother by time intervals of at least 5 hours and analysed by a validated GC-FID method.

 

After 165 h of incubation, the five consecutive samples performed in the vessels met the criteria showing that the equilibrium was reached.

 

The solubility of the test item in water based on the mean of the three determinations was 20.7 mg/L at 20+/-0.5°C (pH = 6.6 – 7.0).

The solubility of the test item in the Daphnia medium was23.16 mg/L at 20+/-0.5°C (pH = 7.8 – 8.0).

Description of key information

20.7 mg/L at 20 +/-0.5°C (pH=6.6 -7.0) in ultra pure water

23.16mg/L at 20 +/-0.5°C (pH=7.8 - 8.0) in daphnia medium

Equilibrium was reached after 165h.

Key value for chemical safety assessment

Water solubility:

20.7 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to OECD/EU method and under GLP, is available. It is considered as a key study. The result is retained as key data.